SCHEMBL6567985

SCHEMBL6567985

O=C(O)c1cc([N+](=O)[O-])ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.53
CTSL P07711 2/20 0.53
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
ANO2 Q9NQ90 1/20 0.46
CES2 O00748 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6566961 0.89 KMT2A (0.48) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6564731 0.88 HSPB1 (0.45) CTSVCTSLMYCMAXMEN1
SCHEMBL6565654 0.87 MEN1 (0.49) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6567723 0.87 MEN1 (0.52) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6567009 0.86 MAPT (0.47) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6566027 0.85 MEN1 (0.47) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6567911 0.84 MEN1 (0.44) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6564977 0.84 MAPT (0.46) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6565819 0.83 SMN1; SMN2 (0.49) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL728433 0.81 ALDH1A1 (0.54) CTSVCTSLMYCMAXMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CTSV 2484/4885CTSL 2207/4885MYC 4728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.